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Compare Experimental Geometries - experimental data

Species Name
C8H8 cyclooctatetraene
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCH 1.079 2008Kum/Lob:9134 re 1 9   
rCC 1.337 2008Kum/Lob:9134 re 1 2   
rCC 1.470 2008Kum/Lob:9134 re 1 5   
rCC 2.511 1976Hellwege(II/7) not bonded 1 6   
rCH 2.091 1976Hellwege(II/7) not bonded 1 10   
aCCC 126.6 1976Hellwege(II/7) ae 1 2 6  
aHCC 117.7 2008Kum/Lob:9134 ae 1 2 10  
aHCC 115.6 2008Kum/Lob:9134 ae 1 5 13  

picture of
1976Hellwege(II/7) Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
2008Kum/Lob:9134 DS Kummli, S Lobsiger, H-M Frey, S Leutwyler, JF Stanton, "Accurate Determination of the Structure of Cyclooctatetraene by Femtosecond Rotational Coherence Spectroscopy and ab Initio Calculations" J. Phys. Chem. A 2008, 112, 9134-9143